SCHEMBL991540

SCHEMBL991540

C=C(C)C(=O)OC.C=CC(=O)OCCCC.C=CC=CC=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 3/20 0.47
TSHR P16473 3/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Juarezic Acid SCHEMBL11394473 0.91 TDP1 (0.49) TDP1KDM4ETSHRHPGDMEN1
SCHEMBL3111140 0.90 TSHR (0.56) TDP1KDM4ETSHRHPGDMEN1
SCHEMBL28004391 0.89 TDP1 (0.47) TDP1KDM4ETSHRHPGDMEN1
Juarezic Acid SCHEMBL29001952 0.88 TDP1 (0.47) TDP1KDM4ETSHRHPGDMEN1
SCHEMBL1857611 0.88 TDP1 (0.54) TDP1KDM4ETSHRMEN1KMT2A
SCHEMBL3469074 0.88 KDM4E (0.53) TDP1KDM4ETSHRHPGDMEN1
Styrene SCHEMBL3684114 0.87 TSHR (0.50) TDP1KDM4ETSHRHPGDPOLB
Styrene SCHEMBL464929 0.87 TSHR (0.52) TDP1KDM4ETSHRHPGDPOLB
SCHEMBL10747808 0.86 LMNA (0.42) TDP1KDM4ETSHRMEN1KMT2A
SCHEMBL30023403 0.85 TSHR (0.63) TDP1KDM4ETSHRHPGDMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110008561-A1 SHEET FOR PACKAGING ELECTRONIC PART DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2011-01-13 US disclosed
US-20100093938-A1 HEAT SHRINKABLE POLYSTYRENE FILM AND PROCESS FOR PRODUCING THE SAME TOYO BOSEKI KABUSHIKI KAISHA (JP) 2010-04-15 US disclosed